[(2S)-1-[(3,4-dimethoxyphenyl)methylamino]-1-oxidanylidene-propan-2-yl] 4-(2-methylpropoxy)benzoate

Systemtic Name: [(2S)-1-[(3,4-dimethoxyphenyl)methylamino]-1-oxidanylidene-propan-2-yl] 4-(2-methylpropoxy)benzoate Openeye Name: [(1S)-2-[(3,4-dimethoxyphenyl)methylamino]-1-methyl-2-oxo-ethyl] 4-isobutoxybenzoate CAS Name: 4-(2-methylpropoxy)benzoic acid [(2S)-1-[(3,4-dimethoxyphenyl)methylamino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[(3,4-dimethoxyphenyl)methylamino]-1-oxopropan-2-yl] 4-(2-methylpropoxy)benzoate Traditional Name: 4-isobutoxybenzoic acid [(1S)-2-keto-1-methyl-2-(veratrylamino)ethyl] ester Formula: C23H29NO6 MolecularWeight: 415.47946

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=C(C=C1)C(=O)OC(C)C(=O)NCC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

C[C@@H](C(=O)NCC1=CC(=C(C=C1)OC)OC)OC(=O)C2=CC=C(C=C2)OCC(C)C

InChI

InChI=1S/C23H29NO6/c1-15(2)14-29-19-9-7-18(8-10-19)23(26)30-16(3)22(25)24-13-17-6-11-20(27-4)21(12-17)28-5/h6-12,15-16H,13-14H2,1-5H3,(H,24,25)/t16-/m0/s1